Alternatives and similar repositories for sisl

Users that are interested in sisl are comparing it to the libraries listed below

• pranabdas / espresso
  Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
  ☆170Updated 2 weeks ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆199Updated last week
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆148Updated 9 months ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆185Updated 2 weeks ago
• theochem / tinydft
  A minimalistic atomic Density Functional Theory (DFT) code
  ☆144Updated 3 weeks ago
• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆95Updated last week
• wannier-berri / wannier-berri
  Advanced tool for Wannier interpolation and integration of k-space integrals
  ☆110Updated last month
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆90Updated last week
• phoebe-team / phoebe
  A high-performance framework for solving phonon and electron Boltzmann equations
  ☆113Updated 2 months ago
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆158Updated 2 weeks ago
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆107Updated 4 years ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆154Updated this week
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆110Updated 5 years ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆133Updated 3 weeks ago
• quantumNerd / Quantum-Espresso-Tutorial-2019-Projects
  ☆232Updated 5 years ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆97Updated 2 weeks ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆90Updated 5 years ago
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆141Updated 2 years ago
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆92Updated 3 years ago
• qtm-iisc / Twister
  ☆65Updated 2 years ago
• irreducible-representations / irrep
  ☆73Updated last month
• henriquemiranda / phononwebsite
  Visualise lattice vibrations
  ☆107Updated 7 months ago
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆179Updated 2 months ago
• quanshengwu / wannier_tools
  WannierTools: An open-source software package for novel topological materials. Full documentation:
  ☆316Updated 7 months ago
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆100Updated last week
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆138Updated this week
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆103Updated last year
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆230Updated last week
• nguyen-group / QE-SSP
  This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York…
  ☆76Updated last year
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆135Updated 3 months ago